4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C20H18N4O4S2 — CID 1092438

IUPAC4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1
InChIInChI=1S/C20H18N4O4S2/c1-13-11-19(23-28-13)24-30(25,26)17-9-5-15(6-10-17)21-20-22-18(12-29-20)14-3-7-16(27-2)8-4-14/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyQVRKUNNOJBNNEL-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.66
Rot. Bonds7

About 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 1092438) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID1092438
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1
InChIInChI=1S/C20H18N4O4S2/c1-13-11-19(23-28-13)24-30(25,26)17-9-5-15(6-10-17)21-20-22-18(12-29-20)14-3-7-16(27-2)8-4-14/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyQVRKUNNOJBNNEL-UHFFFAOYSA-N
XLogP4.66
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(4-Hydroxy-phenyl)-thiazol-2-ylamino]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
CID 2214183
4-nitro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1204416
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanylacetamide
CID 4855752
2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24979980
2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25163693
2-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36321840
4-[[3-(4-Methoxyphenyl)-[1,3]thiazolo[4,5-c][1,2]oxazol-5-yl]amino]benzenesulfonamide
CID 137636790
3-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 17417565
4-[[4-(4-Methoxyphenyl)-2-thiazolyl]amino]benzenesulfonamide
CID 2226108
4-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 1308110
4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide hydrobromide
CID 2877282
N-(2,6-Dimethoxy-pyrimidin-4-yl)-4-[4-(4-methoxy-phenyl)-thiazol-2-ylamino]-benzenesulfonamide
CID 12004705

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 1092438) is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is COc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is QVRKUNNOJBNNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c1-13-11-19(23-28-13)24-30(25,26)17-9-5-15(6-10-17)21-20-22-18(12-29-20)14-3-7-16(27-2)8-4-14/h3-12H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 442.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 1092438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).